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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:Crenigacestat
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Accession:CHEBI:232469 term browser browse the term
Definition:Crenigacestat (LY3039478) is an orally active Notch and g-secretase inhibitor, with an IC50 of 1 nM in most of the tumor cell lines tested.
Synonyms:related_synonym: Formula=C22H23F3N4O4;   InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1;   InChIKey=YCBAQKQAINQRFW-UGSOOPFHSA-N;   LY3039478;   N-[(1S)-2-[[(7S)-6,7-dihydro-5-(2-hydroxyethyl)-6-oxo-5H-pyrido[3,2-a][3]benzazepin-7-yl]amino]-1-methyl-2-oxoethyl]-4,4,4-trifluoro-butanamide;   SMILES=O=C1[C@@H](NC([C@H](C)NC(CCC(F)(F)F)=O)=O)C2=CC=CC=C2C3=C(N=CC=C3)N1CCO
 xref: CAS:1421438-81-4
 xref_mesh: MESH:C000654634



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Crenigacestat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Chuk component of inhibitor of nuclear factor kappa B kinase complex multiple interactions ISO crenigacestat inhibits the reaction [Homoharringtonine results in increased phosphorylation of CHUK protein] CTD PMID:31307525 NCBI chr 1:252,908,748...252,944,273
Ensembl chr 1:242,959,760...242,995,065
JBrowse link
G Ep300 E1A binding protein p300 multiple interactions ISO crenigacestat affects the reaction [Aconitine affects the expression of EP300 protein] CTD PMID:32234357 NCBI chr 7:114,987,857...115,058,652
Ensembl chr 7:113,106,247...113,136,088
Ensembl chr 7:113,106,247...113,136,088
JBrowse link
G Hcn4 hyperpolarization activated cyclic nucleotide-gated potassium channel 4 multiple interactions EXP crenigacestat affects the reaction [Aconitine affects the expression of HCN4 protein] CTD PMID:32234357 NCBI chr 8:68,118,062...68,155,482
Ensembl chr 8:59,221,653...59,259,639
JBrowse link
G Hes1 hes family bHLH transcription factor 1 multiple interactions ISO
EXP
crenigacestat inhibits the reaction [Aconitine results in increased expression of HES1 protein] CTD PMID:32234357 NCBI chr11:84,210,632...84,213,045
Ensembl chr11:70,705,764...70,708,192
JBrowse link
G Kdm5a lysine demethylase 5A multiple interactions ISO crenigacestat inhibits the reaction [Aconitine results in increased expression of KDM5A protein] CTD PMID:32234357 NCBI chr 4:155,238,124...155,316,121
Ensembl chr 4:153,565,846...153,642,422
JBrowse link
G Notch1 notch receptor 1 multiple interactions ISO
EXP
crenigacestat affects the reaction [Aconitine affects the expression of NOTCH1 protein]; crenigacestat inhibits the reaction [Aconitine results in increased expression of NOTCH1 protein modified form] CTD PMID:32234357 NCBI chr 3:29,676,040...29,721,613
Ensembl chr 3:9,278,086...9,323,531
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit multiple interactions ISO crenigacestat inhibits the reaction [Homoharringtonine results in increased expression of RELA protein] CTD PMID:31307525 NCBI chr 1:212,354,336...212,364,815
Ensembl chr 1:202,924,945...202,935,484
JBrowse link
G Tp53 tumor protein p53 multiple interactions ISO crenigacestat inhibits the reaction [Homoharringtonine results in increased expression of TP53 protein] CTD PMID:31307525 NCBI chr10:54,798,871...54,810,300
Ensembl chr10:54,300,048...54,311,524
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19879
    chemical entity 19877
      atom 19877
        nonmetal atom 19800
          carbon atom 19753
            organic molecular entity 19753
              Crenigacestat 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19879
    subatomic particle 19877
      composite particle 19877
        hadron 19877
          baryon 19877
            nucleon 19877
              atomic nucleus 19877
                atom 19877
                  main group element atom 19816
                    p-block element atom 19816
                      carbon group element atom 19756
                        carbon atom 19753
                          organic molecular entity 19753
                            Crenigacestat 8
paths to the root